SCHEMBL3889207

SCHEMBL3889207

O=C(O)Nc1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
BTK Q06187 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX5 P09917 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3884359 0.91 KCNH2 (0.42) ALDH1A1GAAHPGDKCNH2MEN1
SCHEMBL12349992 0.86 MEN1 (0.38) ALDH1A1GAAHPGDABL1LCK
SCHEMBL1126967 0.82 AR (0.43) ALDH1A1GAAABL1LCKFYN
SCHEMBL2194059 0.82 RIPK2 (0.41) ABL1LCKFYNBTKKCNH2
SCHEMBL1868804 0.82 RIPK2 (0.41) KCNH2ARRIPK2
SCHEMBL2193179 0.82 RIPK2 (0.53) ABL1LCKFYNBTKKCNH2
SCHEMBL1127506 0.81 RIPK2 (0.42) ABL1LCKFYNBTKKCNH2
SCHEMBL12230879 0.81 BRAF (0.34) ABL1LCKFYNRETKDR
SCHEMBL3887751 0.81 KCNH2 (0.42) ALDH1A1GAAHPGDKCNH2MEN1
SCHEMBL1889750 0.80 RIPK2 (0.39) ABL1LCKFYNRETKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2017-03-16 US disclosed
EP-3106462-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS Novartis AG (CH) 2016-12-21 EP disclosed
US-9233956-B2 Benzene sulfonamide thiazole and oxazole compounds NOVARTIS AG (CH) 2016-01-12 US disclosed
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2014-03-20 US disclosed
US-8642759-B2 Benzene sulfonamide thiazole and oxazole compounds GLAXOSMITHKLINE LLC (US) 2014-02-04 US disclosed
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2013-06-06 US disclosed
US-8415345-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo SmithKline LLC (US) 2013-04-09 US disclosed
EP-2498608-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-19 EP disclosed
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2009-12-03 US disclosed
WO-2009137391-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 ALDH1A1 915/4885GAA 1014/4885HPGD 2380/4885
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 ALDH1A1 915/4885GAA 1014/4885HPGD 2380/4885
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 ALDH1A1 915/4885GAA 1014/4885HPGD 2380/4885
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 ALDH1A1 915/4885GAA 1014/4885HPGD 2380/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.